REMARK Name = BDB027082 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.021 -1.622 -1.996 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.056 -2.719 -0.941 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.741 -2.485 0.406 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.791 -3.522 1.340 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.166 -4.804 0.945 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.497 -5.051 -0.384 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.446 -4.016 -1.319 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.016 -0.462 -1.753 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.399 0.712 -1.772 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -4.892 1.395 -0.480 0.00 0.00 -0.013 A ATOM 11 C LIG 1 -4.876 0.027 -0.798 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -3.652 -0.561 -1.150 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -2.453 0.149 -1.196 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -1.415 -0.767 -1.581 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -2.031 -1.992 -1.772 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -2.486 1.522 -0.873 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -3.367 -1.858 -1.503 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -4.051 -2.601 -1.555 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -3.701 2.128 -0.522 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 -9.421 2.303 1.350 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -8.138 2.437 0.704 0.00 0.00 -0.274 N ATOM 22 N LIG 1 -7.780 3.625 0.185 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 -6.561 3.393 -0.310 0.00 0.00 +0.142 A ATOM 24 C LIG 1 -6.135 2.057 -0.117 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -7.190 1.467 0.549 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 2.368 -1.117 -2.393 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 2.218 -0.248 -2.913 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.337 -0.854 -1.321 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 3.080 0.404 -0.477 0.00 0.00 +0.051 C BRANCH 29 30 ATOM 30 C LIG 1 4.271 0.758 0.391 0.00 0.00 -0.028 A ATOM 31 C LIG 1 4.474 0.223 1.673 0.00 0.00 +0.045 A ATOM 32 CL LIG 1 3.357 -0.878 2.393 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 5.603 0.573 2.421 0.00 0.00 +0.033 A ATOM 34 C LIG 1 6.544 1.468 1.903 0.00 0.00 +0.038 A ATOM 35 C LIG 1 6.364 1.994 0.620 0.00 0.00 +0.013 A ATOM 36 C LIG 1 5.236 1.641 -0.126 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 7.726 1.807 2.737 0.00 0.00 +0.242 C ATOM 38 O LIG 1 8.093 1.085 3.655 0.00 0.00 -0.270 OA ATOM 39 N LIG 1 8.373 2.982 2.470 0.00 0.00 -0.325 N ATOM 40 H LIG 1 7.941 3.724 1.938 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 9.089 3.248 3.135 0.00 0.00 +0.145 HD ENDBRANCH 34 37 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9